4,4-dimethyl-1-(sulfinoamino)pentane

C7H17NO2S — CID 91803051

IUPAC4,4-dimethyl-1-(sulfinoamino)pentane
SMILESCC(C)(C)CCCNS(=O)O
InChIInChI=1S/C7H17NO2S/c1-7(2,3)5-4-6-8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)
InChIKeyMIZUYOJVORYOSO-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.54
Rot. Bonds4

About 4,4-dimethyl-1-(sulfinoamino)pentane

4,4-dimethyl-1-(sulfinoamino)pentane (PubChem CID 91803051) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-(sulfinoamino)pentane.

Molecular Properties

Compound Name4,4-dimethyl-1-(sulfinoamino)pentane
PubChem CID91803051
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name4,4-dimethyl-1-(sulfinoamino)pentane
SMILESCC(C)(C)CCCNS(=O)O
InChIInChI=1S/C7H17NO2S/c1-7(2,3)5-4-6-8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)
InChIKeyMIZUYOJVORYOSO-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-dimethylpentyl)sulfamoyl fluoride
CID 59881111
3,3-Dimethylbutylsulfamic acid
CID 57071357
2,4,4-Trimethyl-1-(sulfinatoamino)pentane
CID 57421733
5-Methylhexylsulfamic acid
CID 87283256
4-Methylpentylsulfamic acid
CID 87283317
7,7-Dimethyloctylsulfamic acid
CID 87283491
4,4-Dimethylpentylsulfamic acid
CID 87283508
5,5-Dimethylhexylsulfamic acid
CID 87283510
4,4-Dimethyl-1-(sulfinatoamino)pentane
CID 91803050
4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
CID 110611315
N-(4,4-dimethylpentyl)thiohydroxylamine
CID 134559023
1-(Hydroxysulfonothioylamino)-5-methylhexane
CID 155224802

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(sulfinoamino)pentane?
The IUPAC name of 4,4-dimethyl-1-(sulfinoamino)pentane (CID 91803051) is 4,4-dimethyl-1-(sulfinoamino)pentane.
What is the SMILES notation for 4,4-dimethyl-1-(sulfinoamino)pentane?
The canonical SMILES for 4,4-dimethyl-1-(sulfinoamino)pentane is CC(C)(C)CCCNS(=O)O.
What is the InChIKey of 4,4-dimethyl-1-(sulfinoamino)pentane?
The InChIKey is MIZUYOJVORYOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2,3)5-4-6-8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 4,4-dimethyl-1-(sulfinoamino)pentane?
4,4-dimethyl-1-(sulfinoamino)pentane has a molecular weight of 179.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(sulfinoamino)pentane is sourced from PubChem (CID 91803051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).